Compound Detail
CHEMBL4218672
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Basic Information
| ChEMBL ID | CHEMBL4218672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUCQKAOSMQWPJG-UHFFFAOYSA-N |
6
Targets
12
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.17
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.28
EC50 2 meas. best 6.87
IC50 2 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.28 | 7.28 | 52.5 | 3 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 6.87 | 6.87 | 134.9 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.33 | 6.33 | 471.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.3 | 6.3 | 505.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.15 | 6.15 | 703.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.11 | 6.11 | 785.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.91 | 5.91 | 1231.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 5.61 | 5.61 | 2454.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 7 | 10 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | Unchecked | 5 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 1A | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 1B | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 1D | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 1E | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 2A | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 2B | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 2C | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 3A | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 4 | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 5A | 1 |
| 30028132 | 10.1021/acs.jmedchem.8b00642 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine